Sodium 2-nitrophenolate

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  • Identifiers

    CAS number
    824-39-5

    Molecular formula
    C6H4NNaO3

    SMILES
    C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 59.0%
    Odorless 41.7%
    Phenolic 37.65%
    Powdery 34.62%
    Floral 32.88%
    Balsamic 31.57%
    Vanilla 30.41%
    Bitter 29.4%
    Honey 28.93%
    Aromatic 25.34%

     

    Flavor
    Bitter 56.87%
    Odorless 46.26%
    Mild 33.06%
    Phenolic 24.87%
    Nutty 23.6%
    Nitrile 22.33%
    Urine 21.82%
    Bread crust 21.03%
    Orange flower 20.99%
    Very strong 20.73%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    6.57 (neutral)

    Molecular weight
    161.09 g/mol

    Flash point

    • 76.69 ˚C est.

  • Synonyms

    • Sodium 2-nitrophenolate
    • 824-39-5
    • Sodium 2-nitrophenoxide
    • o-Nitrophenol sodium salt
    • Phenol, 2-nitro-, sodium salt
    • EINECS 212-527-5
    • 2-Nitrophenoxysodium
    • EPA Pesticide Chemical Code 129076
    • Phenol, 2-nitro-, sodium salt (1:1)
    • DTXSID5035616
    • AI3-09053
    • UNII-E51940U944
    • SODIUM O-NITROPHENOL
    • DTXCID3015616
    • E51940U944
    • J27.361I
    • RefChem:183628
    • 212-527-5
    • 2-Nitrophenol Sodium Salt
    • Sodium o-nitrophenolate
    • sodium;2-nitrophenolate
    • MFCD00065178
    • Nitrophenolnatrium
    • sodium nitrophenoxide
    • Sodium 2-Nitrophenol
    • Sodium2-nitrophenolate
    • SCHEMBL235204
    • CHEMBL3182627
    • SCHEMBL29757972
    • MSK9020
    • AAA82439
    • Tox21_301461
    • MSK9020-100M
    • AKOS006229171
    • MSK9020-1000M
    • NCGC00255706-01
    • AS-15502
    • CAS-824-39-5
    • CS-0206742
    • N0222
    • NS00078715
    • D84131
    • EN300-6498810
    • Q27276877
    • Sodium 2-nitrophenoxide Solution in Methanol, 1000ug/mL
    • Sodium 2-nitrophenoxide Solution in Methanol, 100ug/mL
    • 36729-73-4
    • 824-39-5

  • Applications

    Sodium 2-nitrophenolate (CAS 824-39-5) is primarily used as an organic synthesis intermediate and building block for nitroaromatic compounds. In industrial settings, it is employed as a precursor for pharmaceutical and agrochemical intermediates, as well as in the production of dyes and pigments. It also finds use in polymer and plastics chemistry as a starting material to introduce nitroaryl functionality, and in coatings and ink formulations as a reactive aryl nitrophenoxide precursor. Use is generally under controlled conditions and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 548.01
    methanol 1063.51
    isopropanol 291.25
    water 2.51
    ethyl acetate 1839.17
    n-propanol 424.7
    acetone 2849.98
    n-butanol 385.56
    acetonitrile 3609.72
    DMF 4073.42
    toluene 245.51
    isobutanol 224.72
    1,4-dioxane 1407.33
    methyl acetate 2696.76
    THF 2352.83
    2-butanone 2106.34
    n-pentanol 317.51
    sec-butanol 386.1
    n-hexane 27.71
    ethylene glycol 297.5
    NMP 1841.57
    cyclohexane 30.78
    DMSO 3666.5
    n-butyl acetate 413.25
    n-octanol 239.64
    chloroform 580.32
    n-propyl acetate 708.4
    acetic acid 676.37
    dichloromethane 934.68
    cyclohexanone 996.19
    propylene glycol 212.56
    isopropyl acetate 497.13
    DMAc 2460.12
    2-ethoxyethanol 1104.93
    isopentanol 279.99
    n-heptane 21.42
    ethyl formate 1044.94
    1,2-dichloroethane 1126.6
    n-hexanol 214.29
    2-methoxyethanol 2393.55
    isobutyl acetate 190.01
    tetrachloromethane 54.78
    n-pentyl acetate 270.25
    transcutol 5792.99
    n-heptanol 112.45
    ethylbenzene 153.97
    MIBK 409.98
    2-propoxyethanol 703.02
    tert-butanol 303.85
    MTBE 377.71
    2-butoxyethanol 357.08
    propionic acid 521.69
    o-xylene 141.42
    formic acid 449.43
    diethyl ether 861.36
    m-xylene 148.75
    p-xylene 150.0
    chlorobenzene 325.62
    dimethyl carbonate 740.4
    n-octane 17.2
    formamide 1603.55
    cyclopentanone 1439.55
    2-pentanone 1278.73
    anisole 531.43
    cyclopentyl methyl ether 629.83
    gamma-butyrolactone 1691.08
    1-methoxy-2-propanol 1146.26
    pyridine 1196.6
    3-pentanone 1033.34
    furfural 1538.29
    n-dodecane 23.41
    diethylene glycol 869.89
    diisopropyl ether 140.04
    tert-amyl alcohol 353.51
    acetylacetone 1628.24
    n-hexadecane 26.5
    acetophenone 482.03
    methyl propionate 1611.49
    isopentyl acetate 272.0
    trichloroethylene 1692.59
    n-nonanol 215.33
    cyclohexanol 281.95
    benzyl alcohol 331.72
    2-ethylhexanol 122.11
    isooctanol 86.73
    dipropyl ether 200.68
    1,2-dichlorobenzene 290.21
    ethyl lactate 310.45
    propylene carbonate 621.42
    n-methylformamide 2562.56
    2-pentanol 273.61
    n-pentane 25.38
    1-propoxy-2-propanol 383.12
    1-methoxy-2-propyl acetate 501.49
    2-(2-methoxypropoxy) propanol 627.81
    mesitylene 86.14
    ε-caprolactone 877.34
    p-cymene 64.9
    epichlorohydrin 2445.91
    1,1,1-trichloroethane 547.55
    2-aminoethanol 350.95
    morpholine-4-carbaldehyde 1953.72
    sulfolane 1441.88
    2,2,4-trimethylpentane 14.58
    2-methyltetrahydrofuran 1099.82
    n-hexyl acetate 533.48
    isooctane 12.75
    2-(2-butoxyethoxy)ethanol 1152.8
    sec-butyl acetate 305.05
    tert-butyl acetate 434.59
    decalin 25.64
    glycerin 376.37
    diglyme 1877.96
    acrylic acid 548.61
    isopropyl myristate 193.25
    n-butyric acid 503.69
    acetyl acetate 831.78
    di(2-ethylhexyl) phthalate 131.69
    ethyl propionate 741.41
    nitromethane 5355.76
    1,2-diethoxyethane 963.39
    benzonitrile 566.19
    trioctyl phosphate 116.65
    1-bromopropane 427.16
    gamma-valerolactone 1763.8
    n-decanol 173.72
    triethyl phosphate 149.75
    4-methyl-2-pentanol 124.05
    propionitrile 1163.89
    vinylene carbonate 621.41
    1,1,2-trichlorotrifluoroethane 908.19
    DMS 663.01
    cumene 74.26
    2-octanol 113.35
    2-hexanone 689.75
    octyl acetate 269.15
    limonene 91.06
    1,2-dimethoxyethane 1945.18
    ethyl orthosilicate 117.64
    tributyl phosphate 170.2
    diacetone alcohol 589.38
    N,N-dimethylaniline 247.02
    acrylonitrile 1941.87
    aniline 278.57
    1,3-propanediol 570.16
    bromobenzene 318.18
    dibromomethane 522.38
    1,1,2,2-tetrachloroethane 925.95
    2-methyl-cyclohexyl acetate 164.33
    tetrabutyl urea 243.59
    diisobutyl methanol 86.09
    2-phenylethanol 247.6
    styrene 223.99
    dioctyl adipate 269.55
    dimethyl sulfate 919.02
    ethyl butyrate 312.78
    methyl lactate 607.1
    butyl lactate 248.53
    diethyl carbonate 231.41
    propanediol butyl ether 580.44
    triethyl orthoformate 178.07
    p-tert-butyltoluene 62.66
    methyl 4-tert-butylbenzoate 285.81
    morpholine 1599.78
    tert-butylamine 132.77
    n-dodecanol 139.04
    dimethoxymethane 2128.39
    ethylene carbonate 467.44
    cyrene 348.3
    2-ethoxyethyl acetate 628.63
    2-ethylhexyl acetate 197.18
    1,2,4-trichlorobenzene 349.0
    4-methylpyridine 995.21
    dibutyl ether 356.43
    2,6-dimethyl-4-heptanol 86.09
    DEF 1647.31
    dimethyl isosorbide 735.45
    tetrachloroethylene 517.3
    eugenol 376.25
    triacetin 543.61
    span 80 363.69
    1,4-butanediol 231.84
    1,1-dichloroethane 688.45
    2-methyl-1-pentanol 239.28
    methyl formate 2138.94
    2-methyl-1-butanol 286.03
    n-decane 32.96
    butyronitrile 818.79
    3,7-dimethyl-1-octanol 210.4
    1-chlorooctane 143.54
    1-chlorotetradecane 68.91
    n-nonane 29.7
    undecane 28.02
    tert-butylcyclohexane 20.3
    cyclooctane 15.32
    cyclopentanol 297.9
    tetrahydropyran 867.09
    tert-amyl methyl ether 364.91
    2,5,8-trioxanonane 1288.98
    1-hexene 131.2
    2-isopropoxyethanol 500.22
    2,2,2-trifluoroethanol 309.76
    methyl butyrate 904.13

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction